1'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione

C26H31N3O3 — CID 53328872

IUPAC1'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione
SMILESCOc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1
InChIInChI=1S/C26H31N3O3/c1-32-23-9-5-4-8-22(23)28-15-12-27(13-16-28)14-17-29-24(30)18-26(19-25(29)31)11-10-20-6-2-3-7-21(20)26/h2-9H,10-19H2,1H3
InChIKeyRTQLJFPZJBGGOG-UHFFFAOYSA-N
MW433.55 g/mol
LogP2.85
Rot. Bonds5

About 1'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione

1'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione (PubChem CID 53328872) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 1'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione.

Molecular Properties

Compound Name1'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione
PubChem CID53328872
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name1'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione
SMILESCOc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1
InChIInChI=1S/C26H31N3O3/c1-32-23-9-5-4-8-22(23)28-15-12-27(13-16-28)14-17-29-24(30)18-26(19-25(29)31)11-10-20-6-2-3-7-21(20)26/h2-9H,10-19H2,1H3
InChIKeyRTQLJFPZJBGGOG-UHFFFAOYSA-N
XLogP2.85
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione?
The IUPAC name of 1'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione (CID 53328872) is 1'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione.
What is the SMILES notation for 1'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione?
The canonical SMILES for 1'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione is COc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1.
What is the InChIKey of 1'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione?
The InChIKey is RTQLJFPZJBGGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-32-23-9-5-4-8-22(23)28-15-12-27(13-16-28)14-17-29-24(30)18-26(19-25(29)31)11-10-20-6-2-3-7-21(20)26/h2-9H,10-19H2,1H3.
What are the key properties of 1'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione?
1'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione has a molecular weight of 433.55 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione is sourced from PubChem (CID 53328872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).